Basic information
- CAS
97877-70-8- Standard SMILES
CC1=CC(=O)C2C(C)C(=O)C3C(C)(C=C4N(CC5CC(C)C(=O)O5)C(=O)CCC4(C)C34COC(=O)C4)C2C1- InChIKey
QARQPZGYTXSOTK-UHFFFAOYSA-N- Molecular formula
- C30H37NO7
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.25700252
Names & identifiers
- Preferred name
- Zoanthamide
- IUPAC
- 2,5,7a,12a-tetramethyl-11-[(4-methyl-5-oxooxolan-2-yl)methyl]spiro[4a,5,6a,8,9,12b-hexahydro-1H-naphtho[2,1-g]quinoline-7,4'-oxolane]-2',4,6,10-tetrone
Names & synonyms
Zoanthamide97877-70-8
Database identifiers
- CAS
97877-70-8- PubChem CID
- 178997
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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